Information card for entry 2227881

Structure parameters

• Chemical name: 1-Carboxymethyl-1'-carboxylatomethyl-3,3'-[<i>p</i>- phenylenebis(oxymethylene)]dipyridinium bromide dihydrate
• Formula: C22 H25 Br N2 O8
• Calculated formula: C22 H25 Br N2 O8
• Title of publication: 1-Carboxymethyl-1'-carboxylatomethyl-3,3'-[<i>p</i>-phenylenebis(oxymethylene)]dipyridinium bromide dihydrate
• Authors of publication: Lian, Hong-Lei; Pan, Wei-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2656
• a: 20.605 ± 0.004 Å
• b: 7.9612 ± 0.0012 Å
• c: 15.233 ± 0.004 Å
• α: 90°
• β: 113.845 ± 0.016°
• γ: 90°
• Cell volume: 2285.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes